Benzene, 1-cyclopropyl-4-methyl-

Base Information

• Chemical Name: Benzene, 1-cyclopropyl-4-methyl-
• CAS No.: 6921-43-3
• Molecular Formula: C10H12
• Molecular Weight: 132.205
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID90219245
• Nikkaji Number: J472.524G
• Wikidata: Q83096152
• Mol file: 6921-43-3.mol

Synonyms:1-cyclopropyl-4-methylbenzene;6921-43-3;Benzene, 1-cyclopropyl-4-methyl-;1-Cyclopropyl-4-methyl-Benzene;p-tolylcyclopropane;4-Cyclopropyltoluene;DTXSID90219245;AC9737;MFCD06802432;AKOS004118634;SY263866;BB 0223512;FT-0751540;A19063

Chemical Property of Benzene, 1-cyclopropyl-4-methyl-

Chemical Property:

• Vapor Pressure: 0.441mmHg at 25°C
• Boiling Point: 201.2°C at 760 mmHg
• Flash Point: 66.2°C
• PSA: 0.00000
• Density: 0.988g/cm³
• LogP: 2.87240
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 132.093900383
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

98%min ^*data from raw suppliers

1-Cyclopropyl-4-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2CC2

Technology Process of Benzene, 1-cyclopropyl-4-methyl-

There total 21 articles about Benzene, 1-cyclopropyl-4-methyl- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

1-ethenyl-4-methylbenzene (622-97-9,24936-41-2) + tetramethylammonium trifluoromethanesulphonate (25628-09-5) → 1-cyclopropyl-4-methyl-benzene (6921-43-3)

Guidance literature:

tetramethylammonium trifluoromethanesulphonate; With n-butyllithium; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere; Schlenk technique;

1-ethenyl-4-methylbenzene; In tetrahydrofuran; at 0 - 20 ℃; for 16h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c4cc04929b

Reference yield: 92.0%

cyclopropyl bromide (4333-56-6,130561-87-4) + 4-tolyl iodide (624-31-7) → 1-cyclopropyl-4-methyl-benzene (6921-43-3)

Guidance literature:

cyclopropyl bromide; With tert.-butyl lithium; In diethyl ether; pentane; at -78 - 20 ℃;

With indium(III) chloride; In tetrahydrofuran; diethyl ether; pentane; at -78 - 20 ℃;

4-tolyl iodide; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; diethyl ether; pentane; for 3h; Further stages.; Heating;

DOI:10.1021/ol990939t

Reference yield: 92.0%

4-tolyl iodide (624-31-7) + tri(cyclopropyl)indium (23719-81-5) → 1-cyclopropyl-4-methyl-benzene (6921-43-3)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; for 3h; Heating;

DOI:10.1021/ja004195m

upstream raw materials:

1-ethenyl-4-methylbenzene

diiodomethane

chloroform

para-bromotoluene

Downstream raw materials:

1-(4-methylphenyl)-1,3-propanediol

Refernces

• 1、 Bonetti, Vittorio,Klare, Hendrik F. T.,Oestreich, Martin,Roy, Avijit,Wang, Guoqiang,Wu, Qian. "Silylium-Ion-Promoted Ring-Opening Hydrosilylation and Disilylation of Unactivated Cyclopropanes". supporting information. . Retrieved 2020/02/04.
• 2、 Svec, Riley L.,Hergenrother, Paul J.. "Imidazotetrazines as Weighable Diazomethane Surrogates for Esterifications and Cyclopropanations". supporting information. p. 1857 - 1862. Retrieved 2019/12/27.